Related papers: Ab initio Derivation of Low-Energy Model for Alkal…
The second-order reduced density matrix method (the RDM method) has performed well in determining energies and properties of atomic and molecular systems, achieving coupled-cluster singles and doubles with perturbative triples (CC SD(T))…
We investigate the $T=0$ phase diagram of a variant of the one-dimensional extended Hubbard model where particles interact via a finite-range soft-shoulder potential. Using Density Matrix Renormalization Group (DMRG) simulations, we…
We investigate the electronic phases of an effective Hubbard model on the body-centered-cubic lattice, motivated by alkali-doped fulleride molecular solids. The model incorporates renormalized on-site interactions and an effective inverted…
In this review we recapitulate the basic features of the flat-band spin systems and briefly summarize earlier studies in the field. Main emphasis is made on recent developments which include results for both spin and electron flat-band…
We consider the extended Hubbard model and introduce a corresponding Heisenberg-like problem written in terms of spin operators. The derived formalism is reminiscent of Anderson's idea of the effective exchange interaction and takes into…
We report on recent studies of the spin-half Heisenberg and the Hubbard model on the sawtooth chain. For both models we construct a class of exact eigenstates which are localized due to the frustrating geometry of the lattice for a certain…
We present an ab initio derivation method for effective low-energy Hamiltonians of material with strong spin-orbit interactions. The effective Hamiltonian is described in terms of the Wannier function in the spinor form, and effective…
We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature. The algorithm marries the \textit{ab initio} phaseless…
In the model considered, the nonlocal interaction of the fermions in different sublattices of a bipartite lattice is introduced. It can also be regarded as local interaction of fermions with opposite ``hypercharge''. The corresponding term…
Developing realistic and precise models of the electronic properties of organic molecular crystals is crucial for understanding the full range of strongly correlated phases that they exhibit. By using \textit{ab initio} model construction…
We study the Holstein-Hubbard model at half filling to explore the ordered phases such as the charge density wave and antiferromagnet. The Coulomb interaction is rewritten in terms of auxiliary fields. By treating the auxiliary fields and…
Recent experiments performed on cuprates and alkali-doped fullerides have demonstated that key signatures of superconductivity can be induced above the equilibrium critical temperature by optical modulation. These observations in disparate…
Different realizations of the Hubbard operators in different Hilbert spaces give rise to various microscopic lattice electron models driven by strong correlations. In terms of the Gutzwiller projected operators, the most familiar examples…
We describe a low-temperature approach to the two-dimensional half-filled Hubbard model which allows us to study both antiferromagnetism and single-particle properties. This approach ignores amplitude fluctuations of the antiferromagnetic…
In a short review-article we first discuss the results, which are mainly devoted to the generalizations of the famous Kohn-Luttinger mechanism of superconductivity in purely repulsive fermion systems at low electron densities. In the…
The Hubbard model is a "highly oversimplified model" for electrons in a solid which interact with each other through extremely short ranged repulsive (Coulomb) interaction. The Hamiltonian of the Hubbard model consists of two pieces; H_hop…
The half filled Hubbard model is studied in the pair approximation of the Cluster Variation Method. The use of the $SO(4)$ symmetry of the model makes possible to give a complete analytical characterization of the ground state, by means of…
Correlated {\em ab initio} electronic structure calculations are reported for the polymers lithium hydride chain $[LiH]_{\infty}$ and beryllium hydride $[Be_{2}H_{4}]_{\infty}$. First, employing a Wannier-function-based approach, the…
The exchange-correlation potential formalism previously introduced and applied to the one-dimensional Hubbard model has been extended to spin systems and applied to the case of the one-dimensional antiferromagnetic spin$-\frac{1}{2}$…
An effective low-energy Hamiltonian of itinerant electrons for iridium oxide Na2IrO3 is derived by an ab initio downfolding scheme. The model is then reduced to an effective spin model on a honeycomb lattice by the strong coupling…